methyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxo-butanoate CAS Name: 4-[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylpiperazin-1-yl)sulfonylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(4-methylpiperazino)sulfonylanilino]butyric acid methyl ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OC

InChI

InChI=1S/C16H23N3O5S/c1-18-9-11-19(12-10-18)25(22,23)14-5-3-13(4-6-14)17-15(20)7-8-16(21)24-2/h3-6H,7-12H2,1-2H3,(H,17,20)